Erismodegib
Product Code
TRC-E615200
CAS Number
Product Format
Neat
Molecular Formula
C26 H26 F3 N3 O3
Molecular Weight
485.50
API Family
ErismodegibProduct Categories
TRC, Chiral Molecules , Enzyme inhibitors, Enzyme agonists & antagonists, Enzyme inhibitors, API Reference Standards & Research Materials, Additional Cancer Bioactive Molecules, Additional Neuro Products
Product Type
APIDocumentation
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Product Information
Chemical Data
Analyte Name
Erismodegib
CAS Number
956697-53-3
Molecular Formula
C26 H26 F3 N3 O3
Molecular Weight
485.50
Accurate Mass
485.1926
SMILES
C[C@@H]1CN(C[C@H](C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2
InChI
InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+
IUPAC
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family